CID 484962

Chembl6971

Structural Information

Molecular Formula
C15H16Cl2N4
SMILES
C1CC2=C(CC1CC3=CC(=C(C=C3)Cl)Cl)C(=NC(=N2)N)N
InChI
InChI=1S/C15H16Cl2N4/c16-11-3-1-9(7-12(11)17)5-8-2-4-13-10(6-8)14(18)21-15(19)20-13/h1,3,7-8H,2,4-6H2,(H4,18,19,20,21)
InChIKey
AGHASEULGKEPPP-UHFFFAOYSA-N
Compound name
6-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

322.0752 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.08248 174.2
[M+Na]+ 345.06442 183.8
[M-H]- 321.06792 177.2
[M+NH4]+ 340.10902 187.5
[M+K]+ 361.03836 175.7
[M+H-H2O]+ 305.07246 166.1
[M+HCOO]- 367.07340 183.4
[M+CH3COO]- 381.08905 183.7
[M+Na-2H]- 343.04987 176.7
[M]+ 322.07465 172.8
[M]- 322.07575 172.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.